SCHEMBL6577587

SCHEMBL6577587

Cc1cncc(C(=O)O)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.42
GABRD O14764 2/20 0.42
GABRA1 P14867 2/20 0.42
GABRB1 P18505 2/20 0.42
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
GABRA5 P31644 2/20 0.42
GABRA3 P34903 2/20 0.42
GABRA2 P47869 2/20 0.42
GABRB2 P47870 2/20 0.42
GABRA4 P48169 2/20 0.42
GABRE P78334 2/20 0.42
GABRA6 Q16445 2/20 0.42
GABRG1 Q8N1C3 2/20 0.42
GABRG3 Q99928 2/20 0.42
GABRQ Q9UN88 2/20 0.42
HCAR2 Q8TDS4 1/20 0.42
NOTUM Q6P988 1/20 0.41
TDP1 Q9NUW8 3/20 0.39
SIRT3 Q9NTG7 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL11682177 0.98 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL18914011 0.88 HCAR2 (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2003114 0.83 KDM4E (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30573034 0.83 KDM4E (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6630808 0.82 SMN1; SMN2 (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9311927 0.80 KDM4E (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL31614663 0.80 KDM4E (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL31118132 0.80 HCAR2 (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11682171 0.80 SIRT3 (0.38) HCAR2TDP1SIRT3ALDH1A1
SCHEMBL13966128 0.80 SIRT3 (0.57) GABRPGABRDGABRA1GABRB1GABRG2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0325061-A2 Process for producing poly (para-phenylene-sulfide) Tosoh Corporation (JP) 1989-07-26 EP claimed
US-10005785-B2 Substituted 6,7-dihydropyrazolo[1,5-a] pyrazines as negative allosteric modulators of mGlUR2 receptors JANSSEN PHARMACEUTICA NV (BE) 2018-06-26 US disclosed
US-10005785-B2 Substituted 6,7-dihydropyrazolo[1,5-a] pyrazines as negative allosteric modulators of mGlUR2 receptors JANSSEN PHARMACEUTICA NV (BE) 2018-06-26 US disclosed
US-9902715-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-02-27 US disclosed
US-20170217971-A1 6,7-DIHYDROPYRAZOLO[1,5-a]PYRAZIN-4(5H)-ONE COMPOUNDS AND THEIR USE AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2017-08-03 US disclosed
US-20170217971-A1 6,7-DIHYDROPYRAZOLO[1,5-a]PYRAZIN-4(5H)-ONE COMPOUNDS AND THEIR USE AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2017-08-03 US disclosed
US-20170121313-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-05-04 US disclosed
WO-2016016395-A1 6,7-DIHYDROPYRAZOLO[1,5-A]PYRAZIN-4(5H)-ONE COMPOUNDS AND THEIR USE AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2016-02-04 WO disclosed
EP-1412515-A2 TREATMENT OF CNS DISORDERS USING D-AMINO ACID OXIDASE AND D-ASPARTATE OXIDASE ANTAGONISTS Genset (FR) 2004-04-28 EP disclosed
WO-2002066672-A2 TREATMENT OF CNS DISORDERS USING D-AMINO ACID OXIDASE AND D-ASPARTATE OXIDASE ANTAGONISTS GENSET S.A. (FR) 2002-08-29 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170121313-A1 NOVEL COMPOUNDS RORC, RORB, RORA GABRP 747/4885GABRD 732/4885GABRA1 263/4885
US-20170217971-A1 6,7-DIHYDROPYRAZOLO[1,5-a]PYRAZIN-4(5H)-ONE COMPOUNDS AND THEIR USE AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS GRM2, GRM5, GRM1 GABRP 66/4885GABRD 156/4885GABRA1 84/4885
US-10005785-B2 Substituted 6,7-dihydropyrazolo[1,5-a] pyrazines as negative allosteric modulators of mGlUR2 receptors GRM2, GRM5, GRM1 GABRP 78/4885GABRD 187/4885GABRA1 92/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.